| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.0000 | 0.2500 | 0.0000 | Ba |
| 2 | 0.3333 | 0.6667 | 0.7500 | 0.0000 | Fe |
| 3 | 0.3333 | 0.6667 | -0.4254 | 0.0000 | Fe=0.9140, Mg=0.0860 |
| 4 | 0.5000 | 0.0000 | 0.0000 | 0.0000 | Fe=0.5950, Mg=0.4050 |
| 5 | 0.0000 | 0.0000 | 0.0558 | 0.0000 | Fe=0.8520, Mg=0.1480 |
| 6 | 0.3333 | 0.6667 | 0.0933 | 0.0000 | Fe=0.8760, Mg=0.1240 |
| 7 | 0.3333 | 0.6667 | 0.2082 | 0.0000 | Fe |
| 8 | -0.1638 | -0.3276 | 0.1495 | 0.0000 | Fe |
| 9 | 0.0000 | 0.0000 | 0.1160 | 0.0000 | O |
| 10 | 0.3333 | 0.6667 | 0.0317 | 0.0000 | O |
| 11 | 0.3333 | 0.6667 | -0.3270 | 0.0000 | O |
| 12 | 0.4890 | 0.9780 | 0.2500 | 0.0000 | O |
| 13 | 0.5030 | 0.0060 | 0.1096 | 0.0000 | O |
| 14 | -0.1750 | -0.3500 | 0.0371 | 0.0000 | O |
| 15 | 0.1640 | 0.3280 | 0.1820 | 0.0000 | O |